, Volume 107, Issue 1, pp 9-15
Date: 23 Jul 2009

Determination of the effective nuclear charge for free ions of transition metals from experimental spectra

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Abstract

The refined set of values of the effective nuclear charge ( \( \bar Z_{ef} \) ) and the set of one-electron spin-orbital constants (ξ 3d teor ) are obtained for ions of transition metals with the help of a semiempirical method of calculation of the spectrum of free ions with allowance for the spin-orbital interaction. The effective nuclear charge, which is a variable theoretical parameter, was determined from a comparison of theoretically calculated ion absorption spectra with experimental ones. The form of the potential for the calculation of the spin-orbital constant was chosen such that the calculated value ξ 3d teor would coincide with the experimental one ξ 3d exp . The calculated set of values \( \bar Z_{ef} \) , ξ 3d teor } can be used in semiempirical calculations of energy levels of 3d ions (ions with an incomplete 3d shell).

Original Russian Text © R.Yu. Babkin, K.V. Lamonova, S.M. Orel, Yu.G. Pashkevich, 2009, published in Optika i Spektroskopiya, 2009, Vol. 107, No. 1, pp. 13–19.